Article
Chemistry, Multidisciplinary
Yixuan Zhu, Yu Zhou, Lu Ren, Jingyao Ye, Haichuan Wang, Xinyuan Liu, Ruiyun Huang, Haojie Liu, Junyang Liu, Jia Shi, Peng Gao, Wenjing Hong
Summary: The charge transport through single-molecule electronic devices can be mechanically controlled by changing the molecular geometrical configuration in situ, achieving conductance variations of more than four orders of magnitude. This is achieved by switching between constructive and destructive quantum interference pathways through designing molecules with multiple anchoring groups and shifting the electrodes within a range of about 0.6 nm. The tunable conductance range achieved using this mechanical tuning strategy is the highest reported so far.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Hang Chen, Yaorong Chen, Hewei Zhang, Wenqiang Cao, Chao Fang, Yicheng Zhou, Zongyuan Xiao, Jia Shi, Wenbo Chen, Junyang Liu, Wenjing Hong
Summary: The study reveals that quantum interference effects can enhance the thermopower of molecular junctions and provide opportunities to manipulate charge transport properties.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Physical
Rebecca J. Salthouse, Juan Hurtado-Gallego, Iain M. Grace, Ross Davidson, Ohud Alshammari, Nicolas Agrait, Colin J. Lambert, Martin R. Bryce
Summary: We studied a series of thiomethyl anchored cross-conjugated molecules and their skipped-conjugated alcohol derivatives using experimental and theoretical methods. The conductance values of the cross-conjugated molecules and their skipped-conjugated partners were found to be similar. Theoretical studies revealed that the conductance of the alcohol series of compounds varied more with the tilt angle. Thermopower measurements showed that the cross-conjugated ketone molecules had a higher Seebeck coefficient compared to the alcohol derivatives, with a particularly high value for the biphenyl derivative 3a.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Multidisciplinary
Li Rui-Hao, Liu Jun-Yang, Hong Wen-Jing
Summary: The quantum interference effect in single-molecule devices refers to the coherent transport of electrons through different energy levels of molecular orbitals and the interference between these levels. This phenomenon can be used to control electron transport in single-molecule devices and has applications in single-molecule switches, single-molecule thermoelectric devices, and single-molecule spintronic devices.
ACTA PHYSICA SINICA
(2022)
Article
Chemistry, Multidisciplinary
Rui Wang, Yingjie Li, Ajun Tang, Yunpeng Li, Hongxiang Li
Summary: The single molecular conductance of viologen derivative VSMe and supramolecular compound VSMe-PA[5] was studied, revealing the gating effect of cation-pi interaction. Theoretical calculations indicated that the higher conductance of VSMe-PA[5] resulted from the planar structure of VSMe and the narrowed HOMO-LUMO bandgap of VSMe-PA[5], which was attributed to the cation-pi interaction between VSMe and PA[5] components.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Werner M. Schosser, Chunwei Hsu, Patrick Zwick, Katawoura Beltako, Diana Dulic, Marcel Mayor, Herre S. J. van der Zant, Fabian Pauly
Summary: The study investigates quantum interference phenomena in molecular electronics at ambient conditions by connecting two porphyrins and mechanically controlling electric transport. The combination of experimental and theoretical methods reveals variations in electrical conductivity during molecular stretching and confirms the mechanosensitive response of molecular junctions. The study also observes uncommon frequency responses in periodic electrode modulation experiments, further confirming predicted transmission dips caused by rearrangement of molecular orbitals.
Article
Multidisciplinary Sciences
Jinshi Li, Pingchuan Shen, Shijie Zhen, Chun Tang, Yiling Ye, Dahai Zhou, Wenjing Hong, Zujin Zhao, Ben Zhong Tang
Summary: Single-molecule potentiometers based on ortho-pentaphenylene derivatives exhibit a controllable conductance modulation through multiple folded conformers, achieving a significantly higher switching factor than previously reported values. The charge transport mechanism for these folded molecules is rationalized as a multichannel conductance governed by through-space and through-bond conducting pathways, shedding light on exploring robust single-molecule potentiometers based on helical structures.
NATURE COMMUNICATIONS
(2021)
Review
Chemistry, Multidisciplinary
Liang Li, Claudia R. R. Prindle, Wanzhuo Shi, Colin Nuckolls, Latha Venkataraman
Summary: Radicals, with their open-shell electronic structures, are unique molecular systems for electronic devices, capable of functioning as conductors and switches in molecular circuits and holding promise in molecular spintronics. However, creating stable and persistent radicals and understanding their properties in molecular junctions pose challenges. This Perspective provides design principles for synthesizing stable radicals relevant to molecular junctions and offers insight into the electronic properties of radicals in single-molecule devices, aiming to facilitate further exploration and development of radical-based molecular systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Materials Science, Multidisciplinary
Zhizhou Li, Chun Yan Gao, Dingkai Su, Chuancheng Jia, Xuefeng Guo
Summary: Single-molecule characterization technologies have enabled the exploration of the intrinsic properties and working mechanisms of molecular machines at the single-molecule scale, which is crucial for future applications at the molecular scale.
ACS MATERIALS LETTERS
(2021)
Article
Engineering, Electrical & Electronic
Chiara Elfi Spano, Yuri Ardesi, Gianluca Piccinini, Mariagrazia Graziano
Summary: Through atomistic calculation, we investigated the electronic structure and transport properties of several molecules and analyzed the destructive quantum interference phenomenon in pCp single-molecule junction. We proposed a method based on back gate biasing to enhance the ON/OFF current ratio of single-molecule field-effect transistors by controlling DQI. The effectiveness of this method was demonstrated through circuit simulations. These findings highlight the importance of chemical synthesis and control for manipulating DQI and enabling single-molecule FET-based nanocomputing applications.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2022)
Article
Chemistry, Multidisciplinary
Hannah E. Skipper, Brent Lawson, Xiaoyun Pan, Vera Degtiareva, Maria Kamenetska
Summary: Understanding and manipulating quantum interference effects in single molecule junction conductance can lead to the design of molecular-scale devices. In this study, quantum interference between σ and π molecular orbitals in a pyrazine molecule bridging source and drain electrodes was demonstrated. The researchers utilized measurements, analysis, and calculations to show that this phenomenon leads to distinct patterns of electron transport in nanoscale junctions, which can be controlled by manipulating the environmental pH. This work provides a conceptual framework for engineering quantum interference features in short molecular systems.
Article
Multidisciplinary Sciences
Anton V. Zasedatelev, Anton V. Baranikov, Denis Sannikov, Darius Urbonas, Fabio Scafirimuto, Vladislav Yu. Shishkov, Evgeny S. Andrianov, Yurii E. Lozovik, Ullrich Scherf, Thilo Stoferle, Rainer F. Mahrt, Pavlos G. Lagoudakis
Summary: Recent progress in nanotechnology and single-molecule spectroscopy has enabled the development of cost-effective organic quantum optical technologies for use in devices operating at ambient conditions. By triggering nonlinearity at the single-photon level, researchers have efficiently controlled the macroscopic condensate wavefunction of exciton-polariton condensates.
Review
Materials Science, Multidisciplinary
Huanyan Fu, Xin Zhu, Peihui Li, Mengmeng Li, Lan Yang, Chuancheng Jia, Xuefeng Guo
Summary: Single-molecule field-effect transistors (FETs) are crucial for future electronic circuits and serve as a unique platform for studying physical mechanisms at the single-molecule level. Designing single-molecule FETs involves focusing on functional molecule design, gate electrode construction, and control of molecule-electrode interface coupling. These FETs not only provide a foundation for practical applications, but also contribute to the exploration of physical laws.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Ping Zhou, Yanjun Fu, Maolin Wang, Renhui Qiu, Yuwei Wang, J. Fraser Stoddart, Yuping Wang, Hongliang Chen
Summary: Supramolecular electronics use noncovalent interactions like π-π and hydrogen bonding to introduce molecular assemblies into electronic devices. This research demonstrates a strategy for building electronically robust switches using two different noncovalent interactions. By compressing the junction, the single-supermolecule switch is turned ON through π-π interactions dominating the transport. Stretching the junction to form hydrogen-bonded dimers turns the switch OFF, resulting in a dramatic decrease in conductance. The study shows the potential for designing robust bistable mechanoresponsive devices for integrated circuits in microelectromechanical systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Chaolong Tang, Ridwan Tobi Ayinla, Kun Wang
Summary: The development in the field of single-molecule electronics has made it possible to study charge transport through individual molecules. With the use of new experimental techniques and integration of knowledge from other disciplines, the capabilities of single-molecule junctions have greatly expanded. New opportunities beyond electrical conductance have emerged, and single-molecule junctions have been shown to address critical physical and chemical questions.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Jing Li, Qingqing Wu, Wei Xu, Hai-Chuan Wang, Hewei Zhang, Yaorong Chen, Yongxiang Tang, Songjun Hou, Colin J. Lambert, Wenjing Hong
Summary: The emergence of molecular spintronics offers new opportunities for designing molecular devices with different spin states. In this study, a reversible single-molecule conductance switch was achieved by manipulating the spin states of the molecule, and the strong electric field was found to play a crucial role in the coordination reaction.
Article
Chemistry, Multidisciplinary
Juan Hurtado-Gallego, Sara Sangtarash, Ross Davidson, Laura Rincon-Garcia, Abdalghani Daaoub, Gabino Rubio-Bollinger, Colin J. Lambert, Vasily S. Oganesyan, Martin R. Bryce, Nicolas Agrait, Hatef Sadeghi
Summary: This study demonstrates that single organic radical molecules can achieve simultaneous enhancement of the Seebeck coefficient and conductivity, thanks to their intrinsic spin state. The researchers also observe a counterintuitive quantum interference effect in stable Blatter radical molecules, further enhancing their thermoelectric properties.
Review
Chemistry, Multidisciplinary
Shi-Xia Liu, Ali K. Ismael, Alaa Al-Jobory, Colin J. Lambert
Summary: This article introduces the conduction of electrons through single molecules, and reveals the important role of quantum interference in the conductivity properties. It shows that conductivity can be controlled by adjusting the connectivity of electrodes and adding heteroatoms to the molecules. These effects can be observed even at room temperature, and can be described by simple quantum circuit rules and an intuitive "magic ratio" theory.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Physical
Victor Manuel Garcia-Suarez
Summary: Current solid-state thermoelectric converters have poor performance, and we propose a feasible and effective design of new thermoelectric systems based on physical gaps in nanoscale junctions. This design can achieve high figures of merit and pave the way for the design and fabrication of stable next-generation thermoelectric devices.
Article
Chemistry, Physical
Laith A. Algharagholy, V. M. Garcia-Suarez
Summary: New heteromaterials, especially those involving nanoscale elements like nanotubes, have created opportunities for the advancement of materials and devices in the future. In this study, we used density functional theory (DFT) simulations and a Green's function scattering approach to investigate the electronic transport properties of defective heteronanotube junctions (hNTJs) composed of (6,6) carbon nanotubes (CNT) and boron nitride nanotubes (BNNT) as a scatterer. Our findings indicate that defects and the resulting curvature have a significant impact on the transport properties, resulting in an increase in conductance compared to defect-free junctions. Furthermore, narrowing the BNNT region leads to a substantial decrease in conductance, contrary to the effect of defects.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Simon A. Svatek, Valentina Sacchetti, Laura Rodriguez-Perez, Beatriz M. Illescas, Laura Rincon-Garcia, Gabino Rubio-Bollinger, M. Teresa Gonzalez, Steven Bailey, Colin J. Lambert, Nazario Martin, Nicolas Agrait
Summary: The thermoelectric properties of molecular junctions consisting of [60]fullerene derivatives covalently bound to a graphene electrode were studied using a conducting-probe atomic force microscope (c-AFM). The [60]fullerene derivatives were linked to the graphene electrode through different phenyl ring configurations. The results showed that the magnitude of the Seebeck coefficient was up to nine times larger than that of Au-C60-Pt molecular junctions, and the thermopower sign depended on the binding geometry and Fermi energy.
Article
Nanoscience & Nanotechnology
Xintai Wang, Angelo Lamantia, Michael Jay, Hatef Sadeghi, Colin J. Lambert, Oleg Kolosov, Benjamin J. Robinson
Summary: A non-destructive method for probing the electrical and thermoelectric properties of small assemblies of molecules within a self-assembled monolayer (SAM) has been developed. The method combines a modified thermal-electric force microscopy approach with density functional theory calculations to quantify the electrical quantum transport properties of single molecules and small clusters. This approach allows for simultaneous measurement of the SAM's nanomechanical properties, as well as electrical and/or thermoelectric response, enabling correlation of film properties.
Article
Chemistry, Physical
Rebecca J. Salthouse, Juan Hurtado-Gallego, Iain M. Grace, Ross Davidson, Ohud Alshammari, Nicolas Agrait, Colin J. Lambert, Martin R. Bryce
Summary: We studied a series of thiomethyl anchored cross-conjugated molecules and their skipped-conjugated alcohol derivatives using experimental and theoretical methods. The conductance values of the cross-conjugated molecules and their skipped-conjugated partners were found to be similar. Theoretical studies revealed that the conductance of the alcohol series of compounds varied more with the tilt angle. Thermopower measurements showed that the cross-conjugated ketone molecules had a higher Seebeck coefficient compared to the alcohol derivatives, with a particularly high value for the biphenyl derivative 3a.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Zhixing Lu, Songjun Hou, Rongjian Lin, Jie Shi, Qingqing Wu, Shiqiang Zhao, Luchun Lin, Chun Tang, Yang Yang, Colin J. Lambert, Wenjing Hong
Summary: In this study, semimetallic transition metal dichalcogenides (TMDCs) 1T-WTe2 were used as electrodes to fabricate WTe2/metalated tetraphenyl-porphyrin (M-TPP)/WTe2 junctions via van der Waals interaction. Compared to chemically bonded Au/M-TPP/Au junctions, the conductance of these M-TPP van der Waals molecular junctions was enhanced by 736%. Moreover, the WTe2/M-TPP/WTe2 junctions exhibited a tunable conductance range of 10^(-3.29) to 10^(-4.44) G through single-atom control, recording the widest tunable range of conductance for M-TPP molecular junctions. This work demonstrates the potential of two-dimensional TMDCs in constructing highly tunable and conductive molecular devices.
Article
Mathematics
A. Estela Herguedas-Alonso, Victor M. Garcia-Suarez, Juan L. Fernandez-Martinez
Summary: The fast and reliable processing of medical images is crucial for machine learning algorithms in preventing and diagnosing health issues. This study benchmarks different compressed sensing techniques for reducing acquisition time in magnetic resonance imaging. Results show that these techniques are effective in reducing the required number of signals and significantly reducing measurement time.
Article
Chemistry, Multidisciplinary
Luke J. O'Driscoll, Michael Jay, Benjamin J. Robinson, Hatef Sadeghi, Xintai Wang, Becky Penhale-Jones, Martin R. Bryce, Colin J. Lambert
Summary: The synthesis of alkanethiol molecules with planar aromatic head groups for anchoring molecules to graphene electrodes is investigated. The conductance of self-assembled monolayers on a gold surface shows that graphene coated probes have higher conductance than platinum probes. The study confirms the effectiveness of planar aromatic head groups as anchoring units, but highlights the importance of considering the size and geometry of these groups for molecular design.
NANOSCALE ADVANCES
(2023)
Article
Chemistry, Physical
Laith A. Algharagholy, Victor M. Garcia-Suarez, Ohood Abdullah Albeydani, Jehan Alqahtani
Summary: The accurate detection of drug molecules is crucial for medical and industrial applications, especially in the case of illegal drugs, where fast detection is key for security and public health. This study presents a method using nanoscale sensors made of carbon nanotubes modified with dopants, capable of detecting and distinguishing different types of drug molecules. The results demonstrate the possibility of designing nanoscale sensors that can discriminate between compounds, particularly drug molecules, which has significant implications in various fields.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Xintai Wang, Ali Ismael, Shanglong Ning, Hanan Althobaiti, Alaa Al-Jobory, Jan Girovsky, Hippolyte P. A. G. Astier, Luke J. O'Driscoll, Martin R. Bryce, Colin J. Lambert, Christopher J. B. Ford
Summary: This study investigates the effect of the molecule-electrode interface in SAMs using a micro-pore device, overcoming challenges with the tetrapodal anchor and single layered graphene top electrode with an ionic liquid gate. Experimental results show that molecules with the same backbone but different molecule-electrode interfaces exhibit significantly different conductances near zero bias.
NANOSCALE HORIZONS
(2022)
Article
Chemistry, Physical
Juan Hurtado-Gallego, Ross Davidson, Iain M. Grace, Laura Rincon-Garcia, Andrei S. Batsanov, Martin R. Bryce, Colin J. Lambert, Nicolas Agrait
Summary: This study presents a combined experimental and computational investigation on seven cross-conjugated enediyne derivatives. The results demonstrate the presence of multiple conductance plateaus in gold|single-molecule|gold junctions for most of the molecules, and the underlying mechanisms are explained using experimental and theoretical data.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
Article
Chemistry, Physical
Ali K. Ismael, Laura Rincon-Garcia, Charalambos Evangeli, Panagiotis Dallas, Turki Alotaibi, Alaa A. Al-Jobory, Gabino Rubio-Bollinger, Kyriakos Porfyrakis, Nicolas Agrait, Colin J. Lambert
Summary: This study demonstrates that insight into molecular-scale thermoelectricity can be obtained by examining the widths and extreme values of Seebeck histograms. The researchers investigate the electrical conductance and Seebeck coefficient of different endohedral metallofullerenes (EMFs) and find that the standard deviations in the Seebeck coefficient of EMF-based junctions are correlated with geometric standard deviation and charge inhomogeneity. They also compare these molecules with C-60 and show that sigma(q) and sigma(S) are the largest for Sc3C2@C-80 and the smallest for C-60. A large value of sigma(S) indicates that a molecule can exhibit a wide range of Seebeck coefficients, suggesting the potential for high-performance thermoelectricity. All the EMFs studied are bi-thermoelectric materials.
NANOSCALE HORIZONS
(2022)
